0 B5R0.1 CCCN(C)C Molport-006-112-640 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CN(C)CCF Molport-051-781-971 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 CN(C)CCN Molport-001-769-719 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 CN(C)CCN Molport-009-653-578 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 CN(C)CCN Molport-047-918-246 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 CN(C)CCN Molport-047-968-305 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 CCN(C)C Molport-003-925-293 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 CCN(C)C Molport-051-972-827 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.2 CC(N)CN(C)C Molport-001-791-742 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.2 CC(N)CN(C)C Molport-035-691-042 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.2 CC(O)CN(C)C Molport-001-783-682 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.2 CC(O)CN(C)C Molport-042-623-313 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.2 CN(C)CC(=O)C Molport-001-793-984 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.2 CN(C)CC(=O)N Molport-008-643-552 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.2 CN(C)CC(=O)O Molport-001-792-053 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.2 CN(C)CC(=O)O Molport-003-355-838 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.2 CN(C)CC(=O)[O-] Molport-006-122-573 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.2 C[C@@H](N)CN(C)C Molport-033-487-456 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.2 C[C@@H](N)CN(C)C Molport-046-931-303 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.2 C[C@@H](O)CN(C)C Molport-033-356-069 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.2 C[C@H](N)CN(C)C Molport-033-483-934 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.2 C[C@H](N)CN(C)C Molport-038-948-662 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.2 C[C@H](O)CN(C)C Molport-003-933-716 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.4 CCCCN(C)C Molport-003-931-157 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.4 CN(C)CCCN Molport-001-791-758 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.4 CN(C)CCCN Molport-047-589-368 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.4 CN(C)CCCN Molport-047-659-943 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.4 CN(C)CCCO Molport-001-768-954 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.4 CN(C)CCCS Molport-026-522-658 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.4 CN(C)CCCS Molport-046-688-130 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.4 CNCCN(C)C Molport-001-794-238 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.4 CNCCN(C)C Molport-020-180-007 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.4 CNCCN(C)C Molport-028-956-475 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.4 COCCN(C)C Molport-018-617-161 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.4 COCCN(C)C Molport-047-914-179 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.4 CSCCN(C)C Molport-001-764-898 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.4 CSCCN(C)C Molport-047-942-595 [0,1,0,0,0,0|3,0,0]=4 37 B6R1.2 CC1CCCC1 Molport-001-785-798 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 CC1CCCO1 Molport-001-786-550 [0,0,0,1,0,0|1,0,2]=4 39 B6R1.2 CC1OCCO1 Molport-001-789-885 [0,0,0,1,0,0|0,1,2]=4 40 B6R1.2 CN1CCCC1 Molport-001-781-156 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.2 CN1CCCC1 Molport-047-589-454 [0,0,0,1,0,0|3,0,0]=4 42 B6R1.2 FC1CCCC1 Molport-001-773-428 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 N=C1CCCN1 Molport-005-310-923 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.2 NC1CCCC1 Molport-000-871-509 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.2 NN1CCCC1 Molport-003-937-362 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.2 NN1CCCC1 Molport-003-984-627 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.2 NN1CCCC1 Molport-035-789-526 [0,0,0,1,0,0|3,0,0]=4 48 B6R1.2 O=C1CCCN1 Molport-003-928-391 [0,0,0,1,0,0|1,0,0]=2 49 B6R1.2 O=C1CCOC1 Molport-006-708-377 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.2 O=C1OCCO1 Molport-003-925-305 [0,0,0,1,0,0|1,1,0]=3 51 B6R1.2 S=C1CCCN1 Molport-001-762-079 [0,0,0,1,0,0|1,1,0]=3 52 B6R1.2 SC1CCCC1 Molport-001-782-704 [0,0,0,1,0,0|1,1,1]=4 53 B6R1.5 CN1CC(=O)C1 Molport-019-878-973 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.5 CN1CC(=O)C1 Molport-044-182-885 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.11 NC(=O)C1CO1 Molport-003-847-615 [0,0,0,1,0,0|3,0,0]=4 56 B3R0.2 CN(C)C Molport-000-883-876 [2,0,0,0,0,0|2,0,0]=4 57 B3R0.2 CN(C)C Molport-003-939-725 [2,0,0,0,0,0|2,0,0]=4 58 B3R0.2 CN(C)C Molport-051-610-872 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.2 C[NH+](C)C Molport-006-114-731 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.3 CCN(C)CC Molport-003-930-047 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.2 CCN(C)CC(=O)C Molport-005-958-751 [0,2,0,0,0,0|1,0,0]=3 62 B7R0.2 CCN(C)CC(=O)O Molport-005-958-889 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.2 CCN(C)CC(=O)O Molport-046-530-700 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.2 COC(=O)CN(C)C Molport-005-220-447 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.2 COC(=O)CN(C)C Molport-023-220-021 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.13 CCC(C)(C)C(=O)C Molport-000-154-857 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.6 CN(C)CCC(=O)C Molport-002-485-442 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.6 CN(C)CCC(=O)C Molport-005-907-601 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.6 CN(C)CCC(=O)N Molport-008-643-575 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.6 CN(C)CCC(=O)N Molport-046-702-768 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.6 CN(C)CCC(=O)O Molport-001-790-337 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.6 CN(C)CCC(=O)O Molport-016-580-608 [0,2,0,0,0,0|2,0,0]=4 73 B5R1.1 C1CCCC1 Molport-001-789-854 [1,0,0,1,0,0|1,0,1]=4 74 B5R1.1 C1CCOC1 Molport-000-871-942 [1,0,0,1,0,0|0,1,1]=4 75 B5R1.1 C1CCOC1 Molport-046-687-398 [1,0,0,1,0,0|0,1,1]=4 76 B7R1.1 O/N=C/1\CCCN1 Molport-002-320-743 [0,1,0,1,0,0|1,0,1]=4 77 B7R1.1 O/N=C/1\CCCN1 Molport-046-701-958 [0,1,0,1,0,0|1,0,1]=4 78 B7R1.1 O=CN1CCCC1 Molport-002-501-742 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.1 O=NN1CCCC1 Molport-003-849-595 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.1 ON=C1CCCC1 Molport-001-600-611 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.2 CN1CCC(=O)C1 Molport-009-198-135 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.2 CN1CCC(=O)C1 Molport-027-949-208 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.2 FC1COC(=O)O1 Molport-002-498-974 [0,1,0,1,0,0|1,1,0]=4 84 B7R1.2 F[C@H]1COC(=O)O1 Molport-051-570-814 [0,1,0,1,0,0|1,1,0]=4 85 B7R1.2 O=C1CCC(=O)N1 Molport-000-872-027 [0,1,0,1,0,0|1,0,1]=4 86 B7R1.3 O=C1COCCO1 Molport-003-986-736 [0,1,0,1,0,0|0,1,0]=3 87 B7R1.3 O=C1OCCCO1 Molport-003-922-561 [0,1,0,1,0,0|0,1,0]=3 88 B7R1.4 CN1CCCC1=N Molport-023-247-206 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.4 CN1CCCC1=O Molport-002-317-275 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.4 CN1CCCC1=S Molport-002-484-093 [0,1,0,1,0,0|1,1,0]=4 91 B7R1.4 FC1CCCC1=O Molport-029-000-968 [0,1,0,1,0,0|1,0,0]=3 92 B7R1.4 FC1CCNC1=O Molport-044-184-465 [0,1,0,1,0,0|1,0,0]=3 93 B7R1.4 FC1COCC1=O Molport-051-903-145 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.4 F[C@@H]1CCNC1=O Molport-049-213-470 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.4 F[C@H]1CCNC1=O Molport-051-615-606 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.4 NN1CCCC1=O Molport-006-757-999 [0,1,0,1,0,0|1,0,0]=3 97 B7R1.4 NN1CCCC1=O Molport-007-994-778 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.4 O=C1CCCC1=O Molport-029-944-668 [0,1,0,1,0,0|1,0,0]=3